%chk=000029790.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029790

0 1
 S   0.6229000       1.212500     -0.9724000    
 N   -4.105600     -0.1220000      0.2756000    
 N   -2.846500       1.742300     -6.7900002E-02
 C   -1.116500     -0.9644000     -0.7261000    
 C   -2.252900     -0.2419000      -1.379700    
 C   0.1481000     -0.3746000     -0.5279000    
 C    1.193600      -1.067800      8.4100001E-02
 C   -3.080900      0.4925000     -0.3780000    
 C    2.396600     -0.2612000      0.1783000    
 C   -4.709000      0.7842000       1.205300    
 C    2.214700       1.011200     -0.3660000    
 C   -3.892300       2.060500      0.9528000    
 C   -1.327400      -2.275800     -0.2984000    
 C   0.9443000      -2.399900      0.5066000    
 C  -0.3079000      -2.989000      0.3127000    
 C    3.671400     -0.5711000      0.7203000    
 C    3.252000       1.965400     -0.3833000    
 C    4.702800      0.3715000      0.7056000    
 C    4.492800       1.627500      0.1583000    
 H   -1.895800      0.4628000      -2.138600    
 H   -2.894700     -0.9515000      -1.917200    
 H   -4.593100      0.4330000       2.234800    
 H   -5.770600      0.9362000      0.9908000    
 H   -4.531600       2.866300      0.5763000    
 H   -3.411400       2.406500       1.873800    
 H   -4.395300      -1.085400      0.1610000    
 H   -2.293800      -2.754300     -0.4378000    
 H    1.730500      -2.976800      0.9879000    
 H  -0.4803000      -4.009400      0.6431000    
 H    3.857400      -1.550700       1.154300    
 H    3.095600       2.952200     -0.8104000    
 H    5.671800      0.1166000       1.125200    
 H    5.298900       2.355900      0.1499000    


%chk=000029790-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029790

0 1
S 0.300994 1.262111 -0.759703
N -3.286209 0.142722 0.818502
N -3.618391 1.688736 -0.860307
C -1.235573 -1.169908 -0.907319
C -2.416912 -0.411503 -1.495777
C -0.025958 -0.522764 -0.558000
C 1.092021 -1.222125 -0.010495
C -3.103535 0.524678 -0.516916
C 2.235200 -0.348037 0.255031
C -3.878112 1.276288 1.567940
C 1.980353 1.012977 -0.092520
C -4.272284 2.237631 0.381819
C -1.301427 -2.566564 -0.681411
C 0.987513 -2.620022 0.202969
C -0.207123 -3.284439 -0.131967
C 3.504213 -0.686820 0.789815
C 2.946927 2.023061 0.079468
C 4.479866 0.313708 0.966468
C 4.203760 1.661775 0.613495
H -2.110914 0.207707 -2.358028
H -3.165848 -1.135859 -1.867624
H -3.136223 1.740149 2.249203
H -4.752453 0.959812 2.163862
H -5.367749 2.258259 0.227361
H -3.936873 3.275097 0.552120
H -2.735604 -0.592311 1.261454
H -2.221984 -3.099890 -0.947162
H 1.832635 -3.177756 0.621160
H -0.294072 -4.364623 0.026110
H 3.724800 -1.724664 1.063580
H 2.735410 3.061785 -0.193274
H 5.460138 0.051566 1.378592
H 4.971214 2.430524 0.754553


